2024-12-21_00000043
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hard
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8VFQ
De novo design apixaban-binding protein: apx1049;
X-ray diffraction 2.10Å
Protein #1
117 residues (97% resolved)
Raw Sequence ...
GSSARIAKAKKLIYKLEKLWNARDNDGILKLFKDDAVFNLNGVPYKGKEAIKKVLESAPKAKYKITKIDIKIVGNEIIVNVDVLATGPSGFTLKVKSTITFDEDMKITSYEVNLEGS
Canonical Sequence ...
GSSARIAKAKKLIYKLEKLWNARDNDGILKLFKDDAVFNLNGVPYKGKEAIKKVLESAPKAKYKITKIDIKIVGNEIIVNVDVLATGPSGFTLKVKSTITFDEDMKITSYEVNLEGS
Non polymer #2
GG2
InChI=1S/C25H25N5O4/c1-34-19-11-9-18(10-12-19)30-23-20(22(27-30)24(26)32)13-15-29(25(23)33)17-7-5-16(6-8-17)28-14-3-2-4-21(28)31/h5-12H,2-4,13-15H2,1H3,(H2,26,32)
InChI=1S/C25H25N5O4/c1-34-19-11-9-18(10-12-19)30-23-20(22(27-30)24(26)32)13-15-29(25(23)33)17-7-5-16(6-8-17)28-14-3-2-4-21(28)31/h5-12H,2-4,13-15H2,1H3,(H2,26,32)
SMILES: COc1ccc(cc1)n2c3c(c(n2)C(=O)N)CCN(C3=O)c4ccc(cc4)N5CCCCC5=O
COc1ccc(cc1)n2c3c(c(n2)C(=O)N)CCN(C3=O)c4ccc(cc4)N5CCCCC5=O
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
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Model
Reference
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